MMsINC Database Search


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MMsINC code: MMs01470152

Type: Neutral
Formula: C₂₆H₂₅NO₄

SMILES:

O(C(=O)c1ccc(cc1)C(=O)c1ccccc1)CC(=O)N(Cc1ccccc1)C(C)C

InChI:

InChI=1/C26H25NO4/c1-19(2)27(17-20-9-5-3-6-10-20)24(28)18-31-26(30)23-15-13-22(14-16-23)25(29)21-11-7-4-8-12-21/h3-16,19H,17-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.553 kcal/mol

Physical Properties
Molecular Weight: 415.489 g/mol	logS: -6.32832	SlogP: 4.778	Reactive groups: 0

Topological Properties
Globularity: 0.0506867	Sterimol/B1: 3.03238	Sterimol/B2: 3.99192	Sterimol/B3: 4.83461
Sterimol/B4: 7.11348	Sterimol/L: 19.6145

Surface and Volume Properties
Accessible surface: 717.797	Positive charged surface: 403.052	Negative charged surface: 314.745	Volume: 412.625
Hydrophobic surface: 582.553	Hydrophilic surface: 135.244

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.